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State	Conformation	minimum conformation	conformer description	state description
1	1	no	H out	¹A^'
1	2	yes	H in	¹A^'

	hartrees
Energy at 0K	-356.923541
Energy at 298.15K	-356.928890
Nuclear repulsion energy	230.521847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3862	3611	77.90
2	A'	3797	3551	84.83
3	A'	3725	3484	87.62
4	A'	1837	1718	46.80
5	A'	1804	1687	540.59
6	A'	1746	1633	109.68
7	A'	1514	1416	1.56
8	A'	1401	1310	111.16
9	A'	1210	1131	282.75
10	A'	1173	1097	49.08
11	A'	810	758	3.81
12	A'	636	595	86.79
13	A'	557	521	1.28
14	A'	440	411	6.42
15	A'	290	271	13.95
16	A"	815	762	1.04
17	A"	677	633	636.20
18	A"	630	589	9.98
19	A"	610	571	54.77
20	A"	435	407	13.99
21	A"	63	59	7.68

Atom	x (Å)	y (Å)
C1	0.000	0.746
C2	-0.046	-0.780
O3	-1.108	-1.411
O4	1.055	1.379
O5	-1.223	1.320
N6	1.194	-1.329
H7	1.285	-2.327
H8	2.016	-0.754
H9	-1.172	2.289

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5270	2.4248	1.2299	1.3511	2.3939	3.3305	2.5125	1.9379
C2	1.5270		1.2351	2.4235	2.4077	1.3563	2.0403	2.0621	3.2697
O3	2.4248	1.2351		3.5299	2.7334	2.3040	2.5622	3.1924	3.7009
O4	1.2299	2.4235	3.5299		2.2783	2.7112	3.7128	2.3392	2.4053
O5	1.3511	2.4077	2.7334	2.2783		3.5861	4.4259	3.8459	0.9707
N6	2.3939	1.3563	2.3040	2.7112	3.5861		1.0022	1.0027	4.3232
H7	3.3305	2.0403	2.5622	3.7128	4.4259	1.0022		1.7347	5.2292
H8	2.5125	2.0621	3.1924	2.3392	3.8459	1.0027	1.7347		4.4070
H9	1.9379	3.2697	3.7009	2.4053	0.9707	4.3232	5.2292	4.4070

All results from a given calculation for C₂H₃NO₃ (Oxamic acid)

using model chemistry: CID/6-31G

States and conformations

Conformer 1 (H out)

Conformer 2 (H in)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	122.428	C1	C2	N6	112.118
C1	O5	H9	112.118	C2	C1	O4	122.701
C2	C1	O5	113.419	C2	N6	H7	119.020
C2	N6	H8	121.160	O3	C2	N6	125.454
O4	C1	O5	123.880	H7	N6	H8	119.820

	hartrees
Energy at 0K	-356.927537
Energy at 298.15K	-356.933036
Nuclear repulsion energy	231.582237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3848	3598	85.09
2	A'	3736	3494	123.75
3	A'	3713	3472	100.82
4	A'	1874	1753	145.17
5	A'	1811	1694	439.14
6	A'	1742	1629	46.89
7	A'	1508	1410	19.87
8	A'	1355	1267	600.77
9	A'	1256	1175	9.37
10	A'	1178	1102	0.52
11	A'	827	773	15.48
12	A'	648	606	16.91
13	A'	571	534	2.49
14	A'	432	404	5.62
15	A'	290	271	41.59
16	A"	785	734	27.35
17	A"	701	655	633.44
18	A"	678	634	38.22
19	A"	641	599	0.45
20	A"	442	413	5.72
21	A"	111	104	11.15

Atom	x (Å)	y (Å)
C1	0.021	-0.784
C2	0.000	0.748
O3	-1.100	1.332
O4	1.058	-1.432
O5	-1.212	-1.336
N6	1.213	1.325
H7	1.289	2.325
H8	2.043	0.761
H9	-1.913	-0.660

	C1	C2	O3	O4	O5	N6	H7	H8	H9
C1		1.5317	2.3949	1.2223	1.3513	2.4222	3.3575	2.5451	1.9383
C2	1.5317		1.2458	2.4224	2.4110	1.3430	2.0371	2.0435	2.3756
O3	2.3949	1.2458		3.5065	2.6713	2.3126	2.5872	3.1949	2.1524
O4	1.2223	2.4224	3.5065		2.2717	2.7609	3.7637	2.4044	3.0694
O5	1.3513	2.4110	2.6713	2.2717		3.6003	4.4342	3.8729	0.9740
N6	2.4222	1.3430	2.3126	2.7609	3.6003		1.0029	1.0040	3.7031
H7	3.3575	2.0371	2.5872	3.7637	4.4342	1.0029		1.7359	4.3782
H8	2.5451	2.0435	3.1949	2.4044	3.8729	1.0040	1.7359		4.2044
H9	1.9383	2.3756	2.1524	3.0694	0.9740	3.7031	4.3782	4.2044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O3	118.785	C1	C2	N6	114.667
C1	O5	H9	111.909	C2	C1	O4	122.792
C2	C1	O5	113.348	C2	N6	H7	119.842
C2	N6	H8	120.392	O3	C2	N6	126.548
O4	C1	O5	123.860	H7	N6	H8	119.767

All results from a given calculation for C2H3NO3 (Oxamic acid)

using model chemistry: CID/6-31G

States and conformations

Conformer 1 (H out)

Conformer 2 (H in)

All results from a given calculation for C₂H₃NO₃ (Oxamic acid)